N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-N-(2-phenylethyl)formamide

C21H21BrN2O — CID 59014685

IUPACN-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-N-(2-phenylethyl)formamide
SMILESO=CN(CCc1ccccc1)C1CCCc2c1[nH]c1ccc(Br)cc21
InChIInChI=1S/C21H21BrN2O/c22-16-9-10-19-18(13-16)17-7-4-8-20(21(17)23-19)24(14-25)12-11-15-5-2-1-3-6-15/h1-3,5-6,9-10,13-14,20,23H,4,7-8,11-12H2
InChIKeyPYUXDLZFSGMGLF-UHFFFAOYSA-N
MW397.32 g/mol
LogP5.01
Rot. Bonds5

About N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-N-(2-phenylethyl)formamide

N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-N-(2-phenylethyl)formamide (PubChem CID 59014685) has the molecular formula C21H21BrN2O and a molecular weight of 397.32 g/mol. Its IUPAC name is N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-N-(2-phenylethyl)formamide.

Molecular Properties

Compound NameN-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-N-(2-phenylethyl)formamide
PubChem CID59014685
Molecular FormulaC21H21BrN2O
Molecular Weight397.32 g/mol
Exact Mass396.08
IUPAC NameN-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-N-(2-phenylethyl)formamide
SMILESO=CN(CCc1ccccc1)C1CCCc2c1[nH]c1ccc(Br)cc21
InChIInChI=1S/C21H21BrN2O/c22-16-9-10-19-18(13-16)17-7-4-8-20(21(17)23-19)24(14-25)12-11-15-5-2-1-3-6-15/h1-3,5-6,9-10,13-14,20,23H,4,7-8,11-12H2
InChIKeyPYUXDLZFSGMGLF-UHFFFAOYSA-N
XLogP5.01
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.32
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-N-(2-phenylethyl)formamide?
The IUPAC name of N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-N-(2-phenylethyl)formamide (CID 59014685) is N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-N-(2-phenylethyl)formamide.
What is the SMILES notation for N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-N-(2-phenylethyl)formamide?
The canonical SMILES for N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-N-(2-phenylethyl)formamide is O=CN(CCc1ccccc1)C1CCCc2c1[nH]c1ccc(Br)cc21.
What is the InChIKey of N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-N-(2-phenylethyl)formamide?
The InChIKey is PYUXDLZFSGMGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrN2O/c22-16-9-10-19-18(13-16)17-7-4-8-20(21(17)23-19)24(14-25)12-11-15-5-2-1-3-6-15/h1-3,5-6,9-10,13-14,20,23H,4,7-8,11-12H2.
What are the key properties of N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-N-(2-phenylethyl)formamide?
N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-N-(2-phenylethyl)formamide has a molecular weight of 397.32 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-N-(2-phenylethyl)formamide is sourced from PubChem (CID 59014685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).